[2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-butyl-amino]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [2-[butyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxo-ethyl] 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [2-[butyl-[(3S)-1,1-dioxo-3-thiolanyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[butyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [2-[butyl-[(3S)-1,1-diketothiolan-3-yl]amino]-2-keto-ethyl] ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32

Isomeric SMILES

CCCCN([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2=CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C20H24N2O6S/c1-2-3-9-22(14-8-10-29(26,27)13-14)19(24)12-28-20(25)16-11-18(23)21-17-7-5-4-6-15(16)17/h4-7,11,14H,2-3,8-10,12-13H2,1H3,(H,21,23)/t14-/m0/s1